Molecule

ID:83459

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N
Molecular Mass
125.2114
Exact Mass
125.12044949
Charge
0
InChI
InChI=1S/C8H15N/c1-7(2)5-8(3,4)6-9/h7H,5H2,1-4H3
InChIKey
FSKRSJMYNXGUBM-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C#N)(C)C)C
Isomeric Smiles
N#CC(CC(C)C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.810296
LogD (pH = 7.4)
2.810296
Log P
2.810296
Molar Refractivity
39.076
Polarizability
15.316708
Polar Surface Area
23.79
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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